SMILES:
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1IMolecular Processing
Molecular formula
C18H19IN2O2
Molecular weight
422.27
Exact mass
422.0491
XLogP
3.69
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
101.32
Supplementary Information
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